ChemSpider 2D Image | (11R,11aS)-11-Hydroxy-1,5,11,11a-tetrahydro[1]benzothieno[2,3-f]indolizin-3(2H)-one | C14H13NO2S

(11R,11aS)-11-Hydroxy-1,5,11,11a-tetrahydro[1]benzothieno[2,3-f]indolizin-3(2H)-one

  • Molecular FormulaC14H13NO2S
  • Average mass259.323 Da
  • Monoisotopic mass259.066711 Da
  • ChemSpider ID24740139

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(11R,11aS)-11-Hydroxy-1,5,11,11a-tetrahydro[1]benzothieno[2,3-f]indolizin-3(2H)-on [German] [ACD/IUPAC Name]
(11R,11aS)-11-Hydroxy-1,5,11,11a-tetrahydro[1]benzothieno[2,3-f]indolizin-3(2H)-one [ACD/IUPAC Name]
(11R,11aS)-11-Hydroxy-1,5,11,11a-tétrahydro[1]benzothiéno[2,3-f]indolizin-3(2H)-one [French] [ACD/IUPAC Name]
[1]Benzothieno[2,3-f]indolizin-3(2H)-one, 1,5,11,11a-tetrahydro-11-hydroxy-, (11R,11aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 527.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.7±30.1 °C
Index of Refraction: 1.744
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.11
ACD/KOC (pH 5.5): 287.58
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.11
ACD/KOC (pH 7.4): 287.58
Polar Surface Area: 69 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 176.8±5.0 cm3

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